| SpectraBase Spectrum ID |
9Xx30YrqUs4 |
| Name |
Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.027727502 u |
| Formula |
C11H12ClNO2S |
| InChI |
InChI=1S/C11H12ClNO2S/c1-2-7-16-11(8-13(14)15)9-3-5-10(12)6-4-9/h2-6,11H,1,7-8H2 |
| InChIKey |
BXFHTZGQVCCJQF-UHFFFAOYSA-N |
| Molecular Weight |
257.735 g/mol |
| SMILES |
C1=C(C=CC(=C1)Cl)C(CN(=O)=O)SCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937076 |
![Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-](/api/spectrum/9Xx30YrqUs4/structure.png?h=300&w=458 "Benzene, 1-chloro-4-[2-nitro-1-(2-propenylthio)ethyl]-")
